<p>(A) Molecular surface of the cyt <i>b</i> subunit is given, showing the access portal leading to the Q<sub>P</sub> site, which is blocked by the docked pyrimorph in a ball-and-stick model with atoms of carbon in magenta, nitrogen in blue, oxygen in red and chlorine in green. (B) Stereoscopic pair showing the detailed interactions between residues in the cyt <i>b</i> subunit with the docked pyrimorph molecule.</p
<p>A) The schematic diagram of the interaction of [(dmb)<sub>2</sub>Ru(obip)Ru(dmb)<sub>2</sub>]<sup...
<p>Ligands are shown as gray sticks; receptor residues are shown as green sticks. Bonds are shown wi...
<p>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>The binding mode of PZA or QA was shown within the catalytic site of MtQAPRTase. The A subunit of...
<p>Compound <b>41</b> is shown in cyan backbone, compound <b>22</b> is shown in magenta backbone, an...
<p>Both ligands are shown as sticks. (<b>A</b>) Overlay of the docked ligand GPP3 (cyan) by QMPLD an...
<p>Molecular docking predicted binding modes of (<b>A</b>) Ethyl 4-chloro acetoacetate, (<b>B</b>) C...
<p>Oxygen, nitrogen, bromine, chlorine and fluorine atoms in red, blue, dark red, green, and light b...
A model binding site was used to investigate charge–charge interactions in molecular docking. This s...
<p>(a) Docking model of compound 19 in CCR2 is shown in transparent surface. Salt bridge interaction...
The respiratory chain cytochrome bc1 complex (cyt bc1) is a major target of numerous antibiotics and...
<p>The molecular model of the dodecahedron depicted along one of the five-fold symmetry axes. The 6-...
<p>Docking poses obtained with AutoDock of α-arbutin in the active site of the oxy form of mushroom ...
<p>In <b>A</b>, the structures of the 20 highest scoring conformers of QUIN obtained by docking on a...
Cytochrome P450s (CYPs) exhibit a large plasticity and flexibility in the active site allowing for t...
<p>A) The schematic diagram of the interaction of [(dmb)<sub>2</sub>Ru(obip)Ru(dmb)<sub>2</sub>]<sup...
<p>Ligands are shown as gray sticks; receptor residues are shown as green sticks. Bonds are shown wi...
<p>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...
<p>The binding mode of PZA or QA was shown within the catalytic site of MtQAPRTase. The A subunit of...
<p>Compound <b>41</b> is shown in cyan backbone, compound <b>22</b> is shown in magenta backbone, an...
<p>Both ligands are shown as sticks. (<b>A</b>) Overlay of the docked ligand GPP3 (cyan) by QMPLD an...
<p>Molecular docking predicted binding modes of (<b>A</b>) Ethyl 4-chloro acetoacetate, (<b>B</b>) C...
<p>Oxygen, nitrogen, bromine, chlorine and fluorine atoms in red, blue, dark red, green, and light b...
A model binding site was used to investigate charge–charge interactions in molecular docking. This s...
<p>(a) Docking model of compound 19 in CCR2 is shown in transparent surface. Salt bridge interaction...
The respiratory chain cytochrome bc1 complex (cyt bc1) is a major target of numerous antibiotics and...
<p>The molecular model of the dodecahedron depicted along one of the five-fold symmetry axes. The 6-...
<p>Docking poses obtained with AutoDock of α-arbutin in the active site of the oxy form of mushroom ...
<p>In <b>A</b>, the structures of the 20 highest scoring conformers of QUIN obtained by docking on a...
Cytochrome P450s (CYPs) exhibit a large plasticity and flexibility in the active site allowing for t...
<p>A) The schematic diagram of the interaction of [(dmb)<sub>2</sub>Ru(obip)Ru(dmb)<sub>2</sub>]<sup...
<p>Ligands are shown as gray sticks; receptor residues are shown as green sticks. Bonds are shown wi...
<p>The binding modes (A) C15 (B) Hit 1 (C) Hit 2 and (D) Hit 3 at the active site of the enzyme. The...